Geometry & MOs

Info

ID:	72998
PubChem CID:	48416779
Reduced:	ON7H15C16 (1)
Stoich.:	AB7C15D16 (1)
Weight, g/mol:	295.118158
ΔH_f, kcal/mol:	117.76
Dipole, Da:	3.74
IP(EA), eV:	-9.2(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N4C(=C(C=N4)C#N)N)C

DOS

IR

Vibrations